2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid

C10H17N3O5 — CID 83019576

IUPAC2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C10H17N3O5/c14-8(15)6-12(7-9(16)17)10(18)11-13-4-2-1-3-5-13/h1-7H2,(H,11,18)(H,14,15)(H,16,17)
InChIKeyJMDCPNIPNCVLDC-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.43
Rot. Bonds5

About 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid

2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid (PubChem CID 83019576) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid
PubChem CID83019576
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NN1CCCCC1
InChIInChI=1S/C10H17N3O5/c14-8(15)6-12(7-9(16)17)10(18)11-13-4-2-1-3-5-13/h1-7H2,(H,11,18)(H,14,15)(H,16,17)
InChIKeyJMDCPNIPNCVLDC-UHFFFAOYSA-N
XLogP-0.43
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[piperidin-1-ylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 83019737
3-oxo-3-(piperidin-1-ylamino)propanoic acid
CID 83024092
1,3-dipyrrolidin-1-ylurea
CID 140976479
2-hydroxy-N-piperidin-1-ylacetamide
CID 11480586
2-[carboxymethyl(3-pyrrolidin-1-ylpropylcarbamoyl)amino]acetic acid
CID 63646345
2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 107439195
2-[(2-amino-2-oxoethyl)-(1-piperidin-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 107438309
2-[bis(piperidin-1-ylamino)phosphinothioylmethyl-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 57007138
2-chloro-N-piperidin-1-ylacetamide
CID 17164466
2-[2-piperidin-1-ylethylcarbamoyl(propyl)amino]acetic acid
CID 55134965
2-[cyclopropylmethyl(piperidine-1-carbonyl)amino]acetic acid
CID 43655845
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid (CID 83019576) is 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NN1CCCCC1.
What is the InChIKey of 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid?
The InChIKey is JMDCPNIPNCVLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c14-8(15)6-12(7-9(16)17)10(18)11-13-4-2-1-3-5-13/h1-7H2,(H,11,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid has a molecular weight of 259.26 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(piperidin-1-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 83019576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).